2-(1,3-Dimethylbenzimidazol-2-ylidene)-2-(4-methylphenyl)sulfonylacetonitrile
TL;DR: 2-(1,3-Dimethylbenzimidazol-2-ylidene)-2-(4-methylphenyl)sulfonylacetonitrile (CAS 851175-29-6) is a chemical compound with molecular formula C18H17N3O2S and molecular weight 339.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-dimethylbenzimidazol-2-ylidene)-2-(4-methylphenyl)sulfonylacetonitrile
Also Known As: 2-(1,3-dimethylbenzimidazol-2-ylidene)-2-(4-methylphenyl)sulfonylacetonitrile, (1,3-Dimethyl-1,3-dihydro-2H-benzimidazol-2-ylidene)(4-methylbenzene-1-sulfonyl)acetonitrile
| Molecular Formula | C18H17N3O2S |
|---|---|
| Molecular Weight | 339.10 g/mol |
| LogP | 3.0476 |
| Topological Polar Surface Area | 64.41 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 339.10416 |
| Heavy Atoms | 24 |
| Complexity | 939.0686 |
Chemical Identifiers
| CAS Number | 851175-29-6 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)C(=C2N(C3=CC=CC=C3N2C)C)C#N |
Product Overview
2-(1,3-Dimethylbenzimidazol-2-ylidene)-2-(4-methylphenyl)sulfonylacetonitrile (CAS 851175-29-6), with molecular formula C18H17N3O2S and molecular weight 339.10 g/mol. IUPAC: 2-(1,3-dimethylbenzimidazol-2-ylidene)-2-(4-methylphenyl)sulfonylacetonitrile.
Chemical Property Profile of 2-(1,3-Dimethylbenzimidazol-2-ylidene)-2-(4-methylphenyl)sulfonylacetonitrile
Property Insights of 2-(1,3-Dimethylbenzimidazol-2-ylidene)-2-(4-methylphenyl)sulfonylacetonitrile
The XLogP value of 3.0476 indicates that 2-(1,3-Dimethylbenzimidazol-2-ylidene)-2-(4-methylphenyl)sulfonylacetonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.41 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1,3-Dimethylbenzimidazol-2-ylidene)-2-(4-methylphenyl)sulfonylacetonitrile. Following Lipinski's Rule of Five, 2-(1,3-Dimethylbenzimidazol-2-ylidene)-2-(4-methylphenyl)sulfonylacetonitrile has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(1,3-Dimethylbenzimidazol-2-ylidene)-2-(4-methylphenyl)sulfonylacetonitrile?
The CAS number of 2-(1,3-Dimethylbenzimidazol-2-ylidene)-2-(4-methylphenyl)sulfonylacetonitrile is 851175-29-6.
What is the molecular formula of 2-(1,3-Dimethylbenzimidazol-2-ylidene)-2-(4-methylphenyl)sulfonylacetonitrile?
The molecular formula of 2-(1,3-Dimethylbenzimidazol-2-ylidene)-2-(4-methylphenyl)sulfonylacetonitrile is C18H17N3O2S.
What is the molecular weight of 2-(1,3-Dimethylbenzimidazol-2-ylidene)-2-(4-methylphenyl)sulfonylacetonitrile?
The molecular weight of 2-(1,3-Dimethylbenzimidazol-2-ylidene)-2-(4-methylphenyl)sulfonylacetonitrile is 339.10 g/mol.
Where can I buy 2-(1,3-Dimethylbenzimidazol-2-ylidene)-2-(4-methylphenyl)sulfonylacetonitrile?
You can request a quote for 2-(1,3-Dimethylbenzimidazol-2-ylidene)-2-(4-methylphenyl)sulfonylacetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1,3-Dimethylbenzimidazol-2-ylidene)-2-(4-methylphenyl)sulfonylacetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(1,3-Dimethylbenzimidazol-2-ylidene)-2-(4-methylphenyl)sulfonylacetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.